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2,5-bis(Methylamino)-3-octadecyl-1,4-benzoquinone

View entire compound with spectra: 1 NMR, and 1 FTIR

2,5-bis(Methylamino)-3-octadecyl-1,4-benzoquinone
SpectraBase Compound ID K0o7HySkYvC
InChI InChI=1S/C26H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28-3)24(29)21-23(27-2)26(22)30/h21,27-28H,4-20H2,1-3H3
InChIKey HWSBICQSCBZWER-UHFFFAOYSA-N
Mol Weight 418.7 g/mol
Molecular Formula C26H46N2O2
Exact Mass 418.355929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IzUbb2lzc
Name 2,5-bis(Methylamino)-3-octadecyl-1,4-benzoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.355928727 u
Formula C26H46N2O2
InChI InChI=1S/C26H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28-3)24(29)21-23(27-2)26(22)30/h21,27-28H,4-20H2,1-3H3
InChIKey HWSBICQSCBZWER-UHFFFAOYSA-N
Molecular Weight 418.666 g/mol
SMILES C1(C=C(C(C(=C1NC)CCCCCCCCCCCCCCCCCC)=O)NC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889195